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2,3-Dinitrotoluene
SpectraBase Compound ID DCrJwrvrsGa
InChI InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
InChIKey DYSXLQBUUOPLBB-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C7H6N2O4
Exact Mass 182.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uxR9sxna8n
Name Benzene, 1-methyl-2,3-dinitro-
Alternate Name(s) 1-Methyl-2,3-dinitro-benzene 2,3-Dinitrotoluene 2,3-Dinitrotoluol 2,3-DNT Toluene, 2,3-dinitro- BRN 2212428 CCRIS 2837 EINECS 210-013-5 HSDB 5499
CAS Registry Number 602-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
InChIKey DYSXLQBUUOPLBB-UHFFFAOYSA-N
Molecular Weight 182.135 g/mol
SMILES c1(N(=O)=O)c(N(=O)=O)cccc1C
SPLASH splash10-014i-7900000000-ae5fd73516407b6a9ffe
Source of Spectrum IC-397-0-0
Wiley ID 1177940